1-[5-(N-methylanilino)-2,3-dihydroindol-1-yl]ethanone

C17H18N2O — CID 110454978

IUPAC1-[5-(N-methylanilino)-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(N(C)c3ccccc3)ccc21
InChIInChI=1S/C17H18N2O/c1-13(20)19-11-10-14-12-16(8-9-17(14)19)18(2)15-6-4-3-5-7-15/h3-9,12H,10-11H2,1-2H3
InChIKeyCEFNJVLBVHIVQV-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.36
Rot. Bonds2

About 1-[5-(N-methylanilino)-2,3-dihydroindol-1-yl]ethanone

1-[5-(N-methylanilino)-2,3-dihydroindol-1-yl]ethanone (PubChem CID 110454978) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-[5-(N-methylanilino)-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-(N-methylanilino)-2,3-dihydroindol-1-yl]ethanone
PubChem CID110454978
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name1-[5-(N-methylanilino)-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(N(C)c3ccccc3)ccc21
InChIInChI=1S/C17H18N2O/c1-13(20)19-11-10-14-12-16(8-9-17(14)19)18(2)15-6-4-3-5-7-15/h3-9,12H,10-11H2,1-2H3
InChIKeyCEFNJVLBVHIVQV-UHFFFAOYSA-N
XLogP3.36
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

1-[5-[benzyl(methyl)amino]-2,3-dihydroindol-1-yl]ethanone
CID 110454560
1-acetyl-N,N-dibenzyl-2,3-dihydroindole-5-carboxamide
CID 51271981
methane;1-(5-methyl-2,3-dihydroindol-1-yl)ethanone
CID 159834618
tert-butyl 5-[benzoyl(methyl)amino]-2,3-dihydroindole-1-carboxylate
CID 66891736
N-(1-acetyl-2,3-dihydroindol-5-yl)-N-(1-benzylpiperidin-4-yl)cyclopropanecarboxamide
CID 4135021
1-[4-(1-acetyl-2,3-dihydroindol-5-yl)piperazin-1-yl]ethanone
CID 82537881
1-[5-(trifluoromethyl)-2,3-dihydroindol-1-yl]ethanone
CID 73012338
1-(5-sulfinato-2,3-dihydroindol-1-yl)ethanone;zinc
CID 145441295
1-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-phenylpiperazin-1-yl)ethanone
CID 20866210
1-[5-(4-phenylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone
CID 29264486
1-acetyl-N-benzyl-N-(3-methylphenyl)-2,3-dihydroindole-5-sulfonamide
CID 52561459
3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]propanoic acid
CID 3239436

Frequently Asked Questions

What is the IUPAC name of 1-[5-(N-methylanilino)-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[5-(N-methylanilino)-2,3-dihydroindol-1-yl]ethanone (CID 110454978) is 1-[5-(N-methylanilino)-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[5-(N-methylanilino)-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[5-(N-methylanilino)-2,3-dihydroindol-1-yl]ethanone is CC(=O)N1CCc2cc(N(C)c3ccccc3)ccc21.
What is the InChIKey of 1-[5-(N-methylanilino)-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is CEFNJVLBVHIVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-13(20)19-11-10-14-12-16(8-9-17(14)19)18(2)15-6-4-3-5-7-15/h3-9,12H,10-11H2,1-2H3.
What are the key properties of 1-[5-(N-methylanilino)-2,3-dihydroindol-1-yl]ethanone?
1-[5-(N-methylanilino)-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 266.34 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(N-methylanilino)-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 110454978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).